6-chloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one

C7H6Cl2N2O — CID 114582152

IUPAC6-chloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one
SMILESC=C(Cl)Cn1cnc(Cl)cc1=O
InChIInChI=1S/C7H6Cl2N2O/c1-5(8)3-11-4-10-6(9)2-7(11)12/h2,4H,1,3H2
InChIKeyXQWHQEAJPRULCQ-UHFFFAOYSA-N
MW205.04 g/mol
LogP1.65
Rot. Bonds2

About 6-chloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one

6-chloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one (PubChem CID 114582152) has the molecular formula C7H6Cl2N2O and a molecular weight of 205.04 g/mol. Its IUPAC name is 6-chloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one
PubChem CID114582152
Molecular FormulaC7H6Cl2N2O
Molecular Weight205.04 g/mol
Exact Mass203.99
IUPAC Name6-chloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one
SMILESC=C(Cl)Cn1cnc(Cl)cc1=O
InChIInChI=1S/C7H6Cl2N2O/c1-5(8)3-11-4-10-6(9)2-7(11)12/h2,4H,1,3H2
InChIKeyXQWHQEAJPRULCQ-UHFFFAOYSA-N
XLogP1.65
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.04
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one (CID 114582152) is 6-chloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one is C=C(Cl)Cn1cnc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one?
The InChIKey is XQWHQEAJPRULCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O/c1-5(8)3-11-4-10-6(9)2-7(11)12/h2,4H,1,3H2.
What are the key properties of 6-chloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one?
6-chloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one has a molecular weight of 205.04 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-chloroprop-2-enyl)pyrimidin-4-one is sourced from PubChem (CID 114582152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).